tert-butyl 6-[2-phenylmethoxy-5-(4-phenylmethoxyphenyl)carbonyl-phenyl]hex-5-ynoate

Systemtic Name: tert-butyl 6-[2-phenylmethoxy-5-(4-phenylmethoxyphenyl)carbonyl-phenyl]hex-5-ynoate Openeye Name: tert-butyl 6-[2-benzyloxy-5-(4-benzyloxybenzoyl)phenyl]hex-5-ynoate CAS Name: 6-[5-[oxo-(4-phenylmethoxyphenyl)methyl]-2-phenylmethoxyphenyl]-5-hexynoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-phenylmethoxy-5-(4-phenylmethoxybenzoyl)phenyl]hex-5-ynoate Traditional Name: 6-[2-benzoxy-5-(4-benzoxybenzoyl)phenyl]hex-5-ynoic acid tert-butyl ester Formula: C37H36O5 MolecularWeight: 560.67874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCC#CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CCCC#CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C37H36O5/c1-37(2,3)42-35(38)18-12-6-11-17-31-25-32(21-24-34(31)41-27-29-15-9-5-10-16-29)36(39)30-19-22-33(23-20-30)40-26-28-13-7-4-8-14-28/h4-5,7-10,13-16,19-25H,6,12,18,26-27H2,1-3H3